SCHEMBL21472632

SCHEMBL21472632

CC(C)CCCNc1nccs1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HSPA9 P38646 1/20 0.38
FFAR2 O15552 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
HSPA5 P11021 1/20 0.37
FDPS P14324 1/20 0.37
NPY5R Q15761 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12238637 0.89 ADORA2A (0.58) ADORA2ASMN1; SMN2LMNAXBP1HSPA9
SCHEMBL648497 0.80 NPC1 (0.50) ADORA2ASMN1; SMN2HTR1AHTR1DL3MBTL1
SCHEMBL33105 0.79 L3MBTL1 (0.49) ADORA2ASMN1; SMN2HTR1AHTR1DL3MBTL1
SCHEMBL11922537 0.78 ADORA2A (0.43) ADORA2ASMN1; SMN2LMNAXBP1FFAR2
SCHEMBL8345706 0.77 ADORA2A (0.41) ADORA2ASMN1; SMN2LMNAXBP1HSPA9
SCHEMBL27742621 0.77 L3MBTL1 (0.48) ADORA2ASMN1; SMN2L3MBTL1NPY5R
SCHEMBL12824314 0.77 HSD17B10 (0.44) SMN1; SMN2HTR1AHTR1DL3MBTL1GAA
SCHEMBL5568640 0.77 HRH3 (0.42) SMN1; SMN2HTR1AHTR1DL3MBTL1GAA
SCHEMBL19161334 0.76 ADORA2A (0.40) ADORA2ASMN1; SMN2HTR1AHTR1DL3MBTL1
SCHEMBL2170934 0.76

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF ARES CAPITAL CORPORATION, AS AGENT 2023-04-27 US disclosed
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF ARES CAPITAL CORPORATION, AS AGENT 2023-04-27 US disclosed
US-11220476-B2 Compounds and compositions for intracellular delivery of therapeutic agents MODERNATX, INC. (US) 2022-01-11 US disclosed
US-20200123100-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2020-04-23 US disclosed
US-20190314291-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS TO IMMUNE CELLS MODERNATX, INC. 2019-10-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11220476-B2 Compounds and compositions for intracellular delivery of therapeutic agents LNPK, PLTP, PLIN3 ADORA2A 4396/4885SMN1; SMN2 2883/4885LMNA 1539/4885
US-20200123100-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS LNPK, PLTP, PLIN3 ADORA2A 4396/4885SMN1; SMN2 2883/4885LMNA 1539/4885
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF HMOX1, CD209, HMOX2 ADORA2A 51/4885SMN1; SMN2 3558/4885LMNA 4039/4885
US-20190314291-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS TO IMMUNE CELLS LCP2, CD14, MYD88 ADORA2A 1789/4885SMN1; SMN2 2066/4885LMNA 670/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.